qzchen2022

Driving-and-characterizing-nucleation-of-urea-and-glycine-polymorphs-in-water

PLUMED Nest files for metadynamics simulations of urea and glycine nucleation in water

GNN-PLUMED-Nucleation

sentis-samples

Sentis samples internal development repository. Contains example and template projects for Sentis package use.

Unity-Protein-Visualization

Protein Visualization using Unity and C# analysis on PDB Files.

ProteinVisualization

This is a Protein Visualization demo project built with Unity3D. It reads and visualizes .pdb files. The current visualizations includes space-filling, balls-and-sticks, licorice and backbone diagrams, and...the seamless transition between these diagrams. The repository is keeping to update.

build-your-own-x

Master programming by recreating your favorite technologies from scratch.

PySAGES

Python Suite for Advanced General Ensemble Simulations

gpt4free

The official gpt4free repository | various collection of powerful language models

CUDA-Programming-with-Python

关于书籍CUDA Programming使用了pycuda模块的Python版本的示例代码

fluent-python-notebooks

Jupyter notebooks and example code for the book Fluent Python

Data-Structures-Algorithms-and-Applications-in-cpp

The codes of the book Data Structures, Algorithms, And Applications In C++ written by Sartaj Sahni.

CUDA-Programming

Sample codes for my CUDA programming book

how-to-lammps

How-to perform LAMMPS simulations

metadynamics

molecular dynamics with metadynamics

openmm_metadynamics

toy metadynamics example

Weighted_Histogram_Analysis_Method

MATLAB code for unbiasing MCMC umbrella sampling simulations using Weighted Histogram Analysis Method